麦角考宁

麦角考宁 基本信息
CAS号 564-36-3 分子式 C31H39N5O5
分子量 561.67200 精确质量  561.29500
PSA  118.21000 LogP  2.24480

等价的CAS号:

564-36-3,564-37-4,106188-93-6

基本信息 展开↓

CAS号:
564-36-3
3D弹球模型:
立即前往扯扯看
分子式:
C31H39N5O5
分子量:
561.67200
中文名称:
麦角考宁
英文名称:
ergocornine
中文别名:
麦角考宁;
麦角碱;
麦角碱,麦角柯宁碱
英文别名:
ergocornine;
ERGOCORNINE;
(5'
精确分子量/精确质量:
561.29500
极性分子表面积/PSA:
118.21000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
209-272-7
InChI:
InChI=1/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1

物化性质展开↓

密度:
1.4g/cm3
沸点:
858.3ºC at 760mmHg
闪点:
472.9ºC
折射率:
1.689

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)
WGK_Germany:
3
德国有关水污染物质的分类清单
RTECS号:
KE7630000

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KE7630000
CHEMICAL NAME :
Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'-alpha)-
CAS REGISTRY NUMBER :
564-36-3
BEILSTEIN REFERENCE NO. :
0078784
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C31-H39-N5-O5
MOLECULAR WEIGHT :
561.75
WISWESSER LINE NOTATION :
T C6656 1A P GN LM CUTT&&J G1 EVM- DT B565 CO EVN HVNTJ BQ DY1&1 GY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1170 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,304,1948 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
5 mg/kg
SEX/DURATION :
female 5 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
REFERENCE :
RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 7,701,1974
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
50 mg/kg
SEX/DURATION :
female 10 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 11,459,1966
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
10 mg/kg
SEX/DURATION :
lactating female 7 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Maternal Effects - postpartum
REFERENCE :
BIREBV Biology of Reproduction. (Soc. for the Study of Reproduction, 309 W. Clark St., Champaign, IL 61820) V.1- 1969- Volume(issue)/page/year: 1,367,1969
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